3ST5
Crystal structure of wild-type HIV-1 protease with C3-Substituted Hexahydrocyclopentafuranyl Urethane as P2-Ligand, GRL-0489A
3ST5 の概要
エントリーDOI | 10.2210/pdb3st5/pdb |
関連するPDBエントリー | 2HB3 2IEN 3DK1 3H5B |
関連するBIRD辞書のPRD_ID | PRD_000798 |
分子名称 | Protease, CHLORIDE ION, (3R,3aR,5R,6aR)-3-hydroxyhexahydro-2H-cyclopenta[b]furan-5-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate, ... (4 entities in total) |
機能のキーワード | aspartic acid protease, hiv-1 protease inhibitor grl-0489a, c3-substituted hexahydrocyclopentafuranyl urethane as p2-ligands, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
由来する生物種 | Human immunodeficiency virus type 1 (HIV-1) |
細胞内の位置 | Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P03367 |
タンパク質・核酸の鎖数 | 2 |
化学式量合計 | 22128.96 |
構造登録者 | |
主引用文献 | Ghosh, A.K.,Chapsal, B.D.,Parham, G.L.,Steffey, M.,Agniswamy, J.,Wang, Y.F.,Amano, M.,Weber, I.T.,Mitsuya, H. Design of HIV-1 Protease Inhibitors with C3-Substituted Hexahydrocyclopentafuranyl Urethanes as P2-Ligands: Synthesis, Biological Evaluation, and Protein-Ligand X-ray Crystal Structure. J.Med.Chem., 54:5890-5901, 2011 Cited by PubMed: 21800876DOI: 10.1021/jm200649p 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (1.45 Å) |
構造検証レポート
検証レポート(詳細版)をダウンロード